CID 28705524

2-chloro-1-(4-cyclopropanecarbonylpiperazin-1-yl)ethan-1-one

Structural Information

Molecular Formula

C₁₀H₁₅ClN₂O₂

SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)CCl

InChI

InChI=1S/C10H15ClN2O2/c11-7-9(14)12-3-5-13(6-4-12)10(15)8-1-2-8/h8H,1-7H2

InChIKey

MXJFVNXNBRKHFW-UHFFFAOYSA-N

Compound name

2-chloro-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 230.0822 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.089476	154.7
[M+Na]+	253.071418	162.0
[M-H]-	229.074924	158.3
[M+NH4]+	248.116023	165.7
[M+K]+	269.045358	157.9
[M+H-H2O]+	213.079460	146.9
[M+HCOO]-	275.080401	166.9
[M+CH3COO]-	289.096051	190.0
[M+Na-2H]-	251.056866	155.8
[M]+	230.08165142	154.9
[M]-	230.08274858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe